2-(3,4-dimethoxyphenyl)ethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl]-homoveratryl-methyl-ammonium Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H28N2O5/c1-24(12-11-16-7-10-19(27-2)20(13-16)28-3)15-21(25)23-14-17-5-8-18(9-6-17)22(26)29-4/h5-10,13H,11-12,14-15H2,1-4H3,(H,23,25)/p+1